3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid

C15H19NO4 — CID 117095209

IUPAC3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2CCNC(=O)C2)cc1
InChIInChI=1S/C15H19NO4/c17-14-9-12(7-8-16-14)10-20-13-4-1-11(2-5-13)3-6-15(18)19/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H,18,19)
InChIKeyRQFMYRVLJDUXAA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.61
Rot. Bonds6

About 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid

3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid (PubChem CID 117095209) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid
PubChem CID117095209
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2CCNC(=O)C2)cc1
InChIInChI=1S/C15H19NO4/c17-14-9-12(7-8-16-14)10-20-13-4-1-11(2-5-13)3-6-15(18)19/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H,18,19)
InChIKeyRQFMYRVLJDUXAA-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-aminoethyl)phenoxy]methyl]piperidin-2-one
CID 117095321
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
4-[(2-oxopiperidin-4-yl)methoxy]benzaldehyde
CID 117052632
3-[4-[(3,3-dimethylcyclodecyl)methoxy]phenyl]propanoic acid
CID 143797232
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
3-[4-(4-cyanophenoxy)phenyl]propanoic acid
CID 116996810
(4R)-4-(methoxymethyl)piperidin-2-one
CID 124538037
3-(4-hydroperoxyphenyl)propanoic acid
CID 87907656
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
CID 117096458

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid (CID 117095209) is 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCC2CCNC(=O)C2)cc1.
What is the InChIKey of 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid?
The InChIKey is RQFMYRVLJDUXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14-9-12(7-8-16-14)10-20-13-4-1-11(2-5-13)3-6-15(18)19/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H,18,19).
What are the key properties of 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid?
3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-oxopiperidin-4-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 117095209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).